1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene

C14H7Cl4F3 — CID 134628722

IUPAC1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(CCl)cc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C14H7Cl4F3/c15-6-7-1-2-9(14(19,20)21)8(5-7)12-10(16)3-4-11(17)13(12)18/h1-5H,6H2
InChIKeyWBKQALJWVWZHBA-UHFFFAOYSA-N
MW374.02 g/mol
LogP7.07
Rot. Bonds2

About 1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene

1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene (PubChem CID 134628722) has the molecular formula C14H7Cl4F3 and a molecular weight of 374.02 g/mol. Its IUPAC name is 1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene
PubChem CID134628722
Molecular FormulaC14H7Cl4F3
Molecular Weight374.02 g/mol
Exact Mass371.93
IUPAC Name1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(CCl)cc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C14H7Cl4F3/c15-6-7-1-2-9(14(19,20)21)8(5-7)12-10(16)3-4-11(17)13(12)18/h1-5H,6H2
InChIKeyWBKQALJWVWZHBA-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.02
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,2,4-trichloro-3-[3-(chloromethyl)-5-(trifluoromethyl)phenyl]benzene
CID 134622327
4-(chloromethyl)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 134617600
4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 94297138
4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
CID 134629903
2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619724
1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene
CID 91269035
1,2,3-trichloro-4-[2-chloro-4-(chloromethyl)phenyl]benzene
CID 134627677
1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene
CID 134629422
4-(chloromethyl)-1-propoxy-2-(trifluoromethyl)benzene
CID 63320761
2,3-dichloro-6-(trifluoromethyl)aniline
CID 21257594
1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene
CID 14745915
4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene
CID 23512765

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene (CID 134628722) is 1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1ccc(CCl)cc1-c1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of 1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene?
The InChIKey is WBKQALJWVWZHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl4F3/c15-6-7-1-2-9(14(19,20)21)8(5-7)12-10(16)3-4-11(17)13(12)18/h1-5H,6H2.
What are the key properties of 1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene?
1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene has a molecular weight of 374.02 g/mol, XLogP of 7.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134628722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).